2-oxo-2-(pyridin-2-ylmethylamino)acetic acid

C8H8N2O3 — CID 4769743

IUPAC2-oxo-2-(pyridin-2-ylmethylamino)acetic acid
SMILESO=C(O)C(=O)NCc1ccccn1
InChIInChI=1S/C8H8N2O3/c11-7(8(12)13)10-5-6-3-1-2-4-9-6/h1-4H,5H2,(H,10,11)(H,12,13)
InChIKeyZNJHGAJHMYPGIY-UHFFFAOYSA-N
MW180.16 g/mol
LogP-0.22
Rot. Bonds2

About 2-oxo-2-(pyridin-2-ylmethylamino)acetic acid

2-oxo-2-(pyridin-2-ylmethylamino)acetic acid (PubChem CID 4769743) has the molecular formula C8H8N2O3 and a molecular weight of 180.16 g/mol. Its IUPAC name is 2-oxo-2-(pyridin-2-ylmethylamino)acetic acid.

Molecular Properties

Compound Name2-oxo-2-(pyridin-2-ylmethylamino)acetic acid
PubChem CID4769743
Molecular FormulaC8H8N2O3
Molecular Weight180.16 g/mol
Exact Mass180.05
IUPAC Name2-oxo-2-(pyridin-2-ylmethylamino)acetic acid
SMILESO=C(O)C(=O)NCc1ccccn1
InChIInChI=1S/C8H8N2O3/c11-7(8(12)13)10-5-6-3-1-2-4-9-6/h1-4H,5H2,(H,10,11)(H,12,13)
InChIKeyZNJHGAJHMYPGIY-UHFFFAOYSA-N
XLogP-0.22
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-(pyridin-2-ylmethylamino)acetic acid?
The IUPAC name of 2-oxo-2-(pyridin-2-ylmethylamino)acetic acid (CID 4769743) is 2-oxo-2-(pyridin-2-ylmethylamino)acetic acid.
What is the SMILES notation for 2-oxo-2-(pyridin-2-ylmethylamino)acetic acid?
The canonical SMILES for 2-oxo-2-(pyridin-2-ylmethylamino)acetic acid is O=C(O)C(=O)NCc1ccccn1.
What is the InChIKey of 2-oxo-2-(pyridin-2-ylmethylamino)acetic acid?
The InChIKey is ZNJHGAJHMYPGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O3/c11-7(8(12)13)10-5-6-3-1-2-4-9-6/h1-4H,5H2,(H,10,11)(H,12,13).
What are the key properties of 2-oxo-2-(pyridin-2-ylmethylamino)acetic acid?
2-oxo-2-(pyridin-2-ylmethylamino)acetic acid has a molecular weight of 180.16 g/mol, XLogP of -0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-(pyridin-2-ylmethylamino)acetic acid is sourced from PubChem (CID 4769743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).